N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide

C13H13N5O3S3 — CID 39036878

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)s1
InChIInChI=1S/C13H13N5O3S3/c1-3-10-16-17-12(23-10)15-11(19)7-4-5-8-9(6-7)22-13(14-8)18-24(2,20)21/h4-6H,3H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyHFGOKFPZWBSHTR-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.33
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide (PubChem CID 39036878) has the molecular formula C13H13N5O3S3 and a molecular weight of 383.48 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide
PubChem CID39036878
Molecular FormulaC13H13N5O3S3
Molecular Weight383.48 g/mol
Exact Mass383.02
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)s1
InChIInChI=1S/C13H13N5O3S3/c1-3-10-16-17-12(23-10)15-11(19)7-4-5-8-9(6-7)22-13(14-8)18-24(2,20)21/h4-6H,3H2,1-2H3,(H,14,18)(H,15,17,19)
InChIKeyHFGOKFPZWBSHTR-UHFFFAOYSA-N
XLogP2.33
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(methanesulfonamido)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 39035040
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 743085
2-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 110451327
3-(methanesulfonamido)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34111874
N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 39033471
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 17446454
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46550915
4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 2379114
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410650
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-pyrrol-1-yl-1,3-benzothiazole-6-carboxamide
CID 39032938
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 29410773

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide (CID 39036878) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide is CCc1nnc(NC(=O)c2ccc3nc(NS(C)(=O)=O)sc3c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide?
The InChIKey is HFGOKFPZWBSHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3S3/c1-3-10-16-17-12(23-10)15-11(19)7-4-5-8-9(6-7)22-13(14-8)18-24(2,20)21/h4-6H,3H2,1-2H3,(H,14,18)(H,15,17,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 39036878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).